1-[[4-[(2-oxidanylidene-4-phenyl-3H-1,5-benzodiazepin-1-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one

Systemtic Name: 1-[[4-[(2-oxidanylidene-4-phenyl-3H-1,5-benzodiazepin-1-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one Openeye Name: 1-[[4-[(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one CAS Name: 1-[[4-[(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)methyl]-1-piperazinyl]methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one IUPAC Name: 1-[[4-[(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one Traditional Name: 1-[[4-[(2-keto-4-phenyl-3H-1,5-benzodiazepin-1-yl)methyl]piperazino]methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one Formula: C36H34N6O2 MolecularWeight: 582.69416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5C(=O)CC(=NC6=CC=CC=C65)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1CN2C(=O)CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5C(=O)CC(=NC6=CC=CC=C65)C7=CC=CC=C7

InChI

InChI=1S/C36H34N6O2/c43-35-23-31(27-11-3-1-4-12-27)37-29-15-7-9-17-33(29)41(35)25-39-19-21-40(22-20-39)26-42-34-18-10-8-16-30(34)38-32(24-36(42)44)28-13-5-2-6-14-28/h1-18H,19-26H2